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W8D

W8D
Name:	3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
Formula:	C10 H13 N5 O
SMILES:	C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
InChi:	InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine

W8J

W8J
Name:	3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
Formula:	C12 H17 N5 O
SMILES:	C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3
InChi:	InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine

WB1

WB1
Name:	6-methyl-1H-indole-3-carboxylic acid
Formula:	C10 H9 N O2
SMILES:	c1c(C)ccc2c(C(O)=O)cnc12
InChi:	InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
Definition date:	2020-10-05
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-methyl-1H-indole-3-carboxylic acid

D6O

D6O
Name:	(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid
Formula:	C5 H5 N O4
SMILES:	OC(=O)C=CC(=O)NC=O
InChi:	InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
Definition date:	2019-07-11
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid

SZW

SZW
Name:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Formula:	C19 H21 Cl N6
SMILES:	CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
InChi:	InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
Definition date:	2020-12-08
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile

O78

O78
Name:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H9 N O2
SMILES:	C1CC(=N)C=C(C1)C(=O)O
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-
Definition date:	2019-12-11
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid

EDF

EDF
Name:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C23 H25 N5 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12
InChi:	InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one

EE6

EE6
Name:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
Formula:	C27 H28 O5
SMILES:	CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3
InChi:	InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one

EE9

EE9
Name:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C26 H26 N6 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12
InChi:	InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one

EEL

EEL
Name:	(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C9 H15 N O3 S2
SMILES:	OC(=O)[CH]1CCCN1C(=O)C(CS)CS
InChi:	InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1
Definition date:	2019-12-16
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

EEO

EEO
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid

EER

EER
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

EEX

EEX
Name:	(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

EF0

EF0
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid

EF9

EF9
Name:	(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid

EFF

EFF
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
Formula:	C10 H18 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(N)=O
InChi:	InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide

EFR

EFR
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
Formula:	C11 H20 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O
InChi:	InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide

EG0

EG0
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid

EKX

EKX
Name:	(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1
Definition date:	2020-01-09
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

WTA

WTA
Name:	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
Formula:	C12 H18 N5 O7 P
SMILES:	C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3
InChi:	InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine

X2Y

X2Y
Name:	2,4-di-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O11 S2
SMILES:	C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
InChi:	InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:	6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-11-23
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose

X34

X34
Name:	4-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O8 S
SMILES:	C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C
InChi:	InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1
Synonyms:	6-deoxy-4-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-11-23
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-4-O-sulfo-alpha-L-galactopyranose

X6Y

X6Y
Name:	2-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O8 S
SMILES:	C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:	InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-12-01
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose

X7V

X7V
Name:	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Formula:	C32 H27 N3 O3
SMILES:	c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
InChi:	InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
Definition date:	2020-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide

XC4

XC4
Name:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
Formula:	C15 H10 N4 O2
SMILES:	c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
InChi:	InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
Definition date:	2020-12-09
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole

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